CAS 87394-48-7 1-(3-Nitropyridin-2-yl)piperazine (HCID 3778834)

기본 정보

CAS: 87394-48-7
표준 SMILES: O=[N+]([O-])c1cccnc1N1CCNCC1
InChIKey: HSAKGWZDXDRYTB-UHFFFAOYSA-N
분자식: C9H12N4O2
평균 분자량: 208.22 g/mol
단동위원소 질량: 208.09602562

이름 및 식별자

우선 이름: 1-(3-Nitropyridin-2-yl)piperazine
IUPAC: 1-(3-nitro-2-pyridinyl)piperazine
현지명: 1-(3-니토피리딘-2-일)피페라진
영어명: 1-(3-Nitorpyridin-2-yl)piperazine
분자식: C9H12N4O2
분자량: 208.22

이름 및 동의어

1-(3-nitropyridin-2-yl)piperazine87394-48-7DTXSID50396304RefChem:224581DTXCID403471631-(3-Nitorpyridin-2-yl)piperazine1-(3-nitro-2-pyridyl)piperazine1-(3-nitro-2-pyridinyl)piperazine1-(3-Nitro-pyridin-2-yl)-piperazine1-(3-nitro-pyridin-2-yl)piperazineMFCD05182227CHEMBL296653

이름 더 보기

1-(3-니토피리딘-2-일)피페라진1-(3-Nitro-2-pyridyl)piperazine, 97%piperazine, 1-(3-nitro-2-pyridinyl)-1-(3-Nitropyridin-2-yl)piperazine ,97%1-(3-nitropyridin-2-yl)piperazine dihydrochloride1-(3-Nitorpyridin-2-yl)piperazine ISO 9001：2015 REACH

SCHEMBL2898307piperazine, 1-(3-nitro-2-pyridinyl)-, dihydrochloride1-(3-Nitorpyridin-2-yl)piperazine2-yl)piperazineDTXSID50396(3-nitro-2-pyridyl)piperazineHSAKGWZDXDRYTB-UHFFFAOYSA-NALBB-0130822-(1-Piperazinyl)-3-nitropyridine

데이터베이스 식별자

CAS: 87394-48-7
PubChem CID: 3778834
DTXSID: DTXSID50396304
ChEMBL: CHEMBL296653
EC Number: 674-717-8
Nikkaji: J1.800.321J

물성

구조 계산 물성

XLogP: 0.5
극성 표면적: 74 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 5
회전 가능 결합 수: 1
무거운 원자 수: 15
형식 전하: 0
복잡도: 225

물리화학적 성질

녹는점: 84 · 84-86
끓는 점: 387.8 · 387.8±37.0 °C(Predicted)
밀도: 1.278 · 1.278±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
산도 계수 (pKa): 8.25 · 8.25±0.10(Predicted)

화학적 성질

Yellow solid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.